File: csohr.mop

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mopac 22.0.6%2Bdfsg-1
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*  -151.648
*
 PM7
Cesium hydroxide
 <Cs-O> <O-H> GR=JANAF86
 Cs     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.39100000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     0.96000000 +1  179.9970510 +0    0.0000000 +0     2     1     0